4-thiophen-2-ylbenzo[e][1]benzofuran

C16H10OS — CID 132529344

IUPAC4-thiophen-2-ylbenzo[e][1]benzofuran
SMILESc1csc(-c2cc3ccccc3c3ccoc23)c1
InChIInChI=1S/C16H10OS/c1-2-5-12-11(4-1)10-14(15-6-3-9-18-15)16-13(12)7-8-17-16/h1-10H
InChIKeyAYWODVHLOUQQHM-UHFFFAOYSA-N
MW250.32 g/mol
LogP5.31
Rot. Bonds1

About 4-thiophen-2-ylbenzo[e][1]benzofuran

4-thiophen-2-ylbenzo[e][1]benzofuran (PubChem CID 132529344) has the molecular formula C16H10OS and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-thiophen-2-ylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name4-thiophen-2-ylbenzo[e][1]benzofuran
PubChem CID132529344
Molecular FormulaC16H10OS
Molecular Weight250.32 g/mol
Exact Mass250.05
IUPAC Name4-thiophen-2-ylbenzo[e][1]benzofuran
SMILESc1csc(-c2cc3ccccc3c3ccoc23)c1
InChIInChI=1S/C16H10OS/c1-2-5-12-11(4-1)10-14(15-6-3-9-18-15)16-13(12)7-8-17-16/h1-10H
InChIKeyAYWODVHLOUQQHM-UHFFFAOYSA-N
XLogP5.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,6-Dimethylbenzyloxy)-4-(thiophen-3-yl)-2-naphthoic acid
CID 54581994
(E)-3-(1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 118732208
3,5-Bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
CID 24747884
2-(5,7-Dimethyl-2-oxo-4-phenylchromen-6-yl)thiophene-3-carbaldehyde
CID 6540218
6-(3-Acetylthiophen-2-yl)-5,7-dimethyl-4-phenylchromen-2-one
CID 6540221
5-(4-Methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
CID 24746764
7-(Furan-2-ylmethyl)-8-hydroxybenzo[f][1]benzothiole-4,9-dione
CID 118707739
5-[5-(4-methoxyphenyl)thiophen-2-yl]-3H-2-benzofuran-1-one
CID 127027609
[(3aS,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-8-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 137660477
3-Thiophen-2-ylbenzo[f][1]benzofuran-4,9-dione
CID 145971264
10-Methoxynaphtho[1,2-e][1]benzothiole-4,5-dione
CID 162657494
3-Thiophen-3-yl-1-benzofuran
CID 54184853

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylbenzo[e][1]benzofuran?
The IUPAC name of 4-thiophen-2-ylbenzo[e][1]benzofuran (CID 132529344) is 4-thiophen-2-ylbenzo[e][1]benzofuran.
What is the SMILES notation for 4-thiophen-2-ylbenzo[e][1]benzofuran?
The canonical SMILES for 4-thiophen-2-ylbenzo[e][1]benzofuran is c1csc(-c2cc3ccccc3c3ccoc23)c1.
What is the InChIKey of 4-thiophen-2-ylbenzo[e][1]benzofuran?
The InChIKey is AYWODVHLOUQQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10OS/c1-2-5-12-11(4-1)10-14(15-6-3-9-18-15)16-13(12)7-8-17-16/h1-10H.
What are the key properties of 4-thiophen-2-ylbenzo[e][1]benzofuran?
4-thiophen-2-ylbenzo[e][1]benzofuran has a molecular weight of 250.32 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylbenzo[e][1]benzofuran is sourced from PubChem (CID 132529344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).